UCSF

ZINC51105812

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.12 1.06 -20.49 3 7 0 102 319.361 6
Lo Low (pH 4.5-6) -0.12 3.32 -64.82 4 7 1 103 320.369 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )